Acetate → HCID 67441718, compound

HRID 309149Notes

Reaction equation

HRID 309149 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([Br:22])[cH:19][cH:20][cH:21]1)[C:10]([CH3:23])([CH3:24])[CH2:9]2.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:32][c:33]1[cH:34][cH:35][c:36]([N:39]2[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[cH:37][cH:38]1.[ClH:31].[Cs+:29].[Cs+:30].[Pd+2:56]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([N:42]3[CH2:41][CH2:40][N:39]([c:36]4[cH:35][cH:34][c:33]([Cl:32])[cH:38][cH:37]4)[CH2:44][CH2:43]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:23])([CH3:24])[CH2:9]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 1140TolueneHCID 19660Carbonate IonHCID 974781-(4-Chlorophenyl)piperazineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 674428312-(3-Bromo-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

Product 1

HCID 67441718HCID 67441718, compound

Sources & evidence

ORD record
ord-c2506de1548f4b298c1193864974fe65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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